N-(1-amino-3-methylbutan-2-yl)-2-(3-bromophenyl)acetamide

C13H19BrN2O — CID 65192905

IUPACN-(1-amino-3-methylbutan-2-yl)-2-(3-bromophenyl)acetamide
SMILESCC(C)C(CN)NC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O/c1-9(2)12(8-15)16-13(17)7-10-4-3-5-11(14)6-10/h3-6,9,12H,7-8,15H2,1-2H3,(H,16,17)
InChIKeyFJCAGEQZLHQMBA-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.09
Rot. Bonds5

About N-(1-amino-3-methylbutan-2-yl)-2-(3-bromophenyl)acetamide

N-(1-amino-3-methylbutan-2-yl)-2-(3-bromophenyl)acetamide (PubChem CID 65192905) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is N-(1-amino-3-methylbutan-2-yl)-2-(3-bromophenyl)acetamide.

Molecular Properties

Compound NameN-(1-amino-3-methylbutan-2-yl)-2-(3-bromophenyl)acetamide
PubChem CID65192905
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC NameN-(1-amino-3-methylbutan-2-yl)-2-(3-bromophenyl)acetamide
SMILESCC(C)C(CN)NC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O/c1-9(2)12(8-15)16-13(17)7-10-4-3-5-11(14)6-10/h3-6,9,12H,7-8,15H2,1-2H3,(H,16,17)
InChIKeyFJCAGEQZLHQMBA-UHFFFAOYSA-N
XLogP2.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-2-(3-bromophenyl)acetamide
CID 104873054
N-(1-aminobutan-2-yl)-2-(3-bromophenyl)acetamide
CID 65193942
2-(3-bromophenyl)-N-[(2R)-pentan-2-yl]acetamide
CID 100699011
3-(3-bromophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
CID 79252822
N-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
CID 28558064
2-N-(3-bromophenyl)-3-methylbutane-1,2-diamine
CID 65377898
2-(3-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 133189879
5-[[2-(3-bromophenyl)acetyl]amino]hexanoic acid
CID 82854620
2-(3-bromophenyl)-N-(1-chloro-4-methylpentan-2-yl)acetamide
CID 113272495
(3-bromophenyl)methyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 7573218
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(3-methylphenyl)acetamide
CID 79253237
4-amino-1-(3-bromophenyl)-5-methylhexan-2-one
CID 116606363

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methylbutan-2-yl)-2-(3-bromophenyl)acetamide?
The IUPAC name of N-(1-amino-3-methylbutan-2-yl)-2-(3-bromophenyl)acetamide (CID 65192905) is N-(1-amino-3-methylbutan-2-yl)-2-(3-bromophenyl)acetamide.
What is the SMILES notation for N-(1-amino-3-methylbutan-2-yl)-2-(3-bromophenyl)acetamide?
The canonical SMILES for N-(1-amino-3-methylbutan-2-yl)-2-(3-bromophenyl)acetamide is CC(C)C(CN)NC(=O)Cc1cccc(Br)c1.
What is the InChIKey of N-(1-amino-3-methylbutan-2-yl)-2-(3-bromophenyl)acetamide?
The InChIKey is FJCAGEQZLHQMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-9(2)12(8-15)16-13(17)7-10-4-3-5-11(14)6-10/h3-6,9,12H,7-8,15H2,1-2H3,(H,16,17).
What are the key properties of N-(1-amino-3-methylbutan-2-yl)-2-(3-bromophenyl)acetamide?
N-(1-amino-3-methylbutan-2-yl)-2-(3-bromophenyl)acetamide has a molecular weight of 299.21 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methylbutan-2-yl)-2-(3-bromophenyl)acetamide is sourced from PubChem (CID 65192905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).